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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50073515'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mu-type opioid receptor


(MOUSE)		BDBM50073515
PNG
(CHEMBL405663 | N-(1-{1-[1-(3-Acetoxy-4,5,6-trihydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C44H63N7O17/c1-20(2)32(41(63)49-29(18-52)43(65)67-19-30-34(56)35(57)36(58)44(66)68-30)51-42(64)33(21(3)4)50-40(62)28(17-31(54)55)48-39(61)27(16-23-9-7-6-8-10-23)47-37(59)22(5)46-38(60)26(45)15-24-11-13-25(53)14-12-24/h6-14,20-22,26-30,32-36,44,52-53,56-58,66H,15-19,45H2,1-5H3,(H,46,60)(H,47,59)(H,48,61)(H,49,63)(H,50,62)(H,51,64)(H,54,55)/t22-,26+,27+,28+,29-,30-,32+,33+,34-,35+,36-,44+/m1/s1
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Similars
Article
PubMed
 879n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.

J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair